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Home > Nitro Compounds > 303995-43-9
303995-43-9 | 5-[(E)-2-[4-(diethoxymethyl)phenyl]ethenyl]-3-methyl-4-nitro-1,2-oxazole
CAS No: 303995-43-9 Catalog No: AG00IQ1X MDL No:MFCD00127196
Product Description
Catalog Number:
AG00IQ1X
Chemical Name:
5-[(E)-2-[4-(diethoxymethyl)phenyl]ethenyl]-3-methyl-4-nitro-1,2-oxazole
CAS Number:
303995-43-9
Molecular Formula:
C17H20N2O5
Molecular Weight:
332.3511
MDL Number:
MFCD00127196
IUPAC Name:
5-[2-[4-(diethoxymethyl)phenyl]ethenyl]-3-methyl-4-nitro-1,2-oxazole
InChI:
InChI=1S/C17H20N2O5/c1-4-22-17(23-5-2)14-9-6-13(7-10-14)8-11-15-16(19(20)21)12(3)18-24-15/h6-11,17H,4-5H2,1-3H3
InChI Key:
MXJRHJLMTIZMFD-UHFFFAOYSA-N
SMILES:
CCOC(c1ccc(cc1)/C=C/c1onc(c1[N+](=O)[O-])C)OCC
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.137g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.356g/mol
Monoisotopic Mass:
332.137g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
90.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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